N-[5-[7-[5-fluoro-2-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide

C56H41F2N11O — CID 137297525

IUPACN-[5-[7-[5-fluoro-2-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
SMILESCc1ccncc1-c1ccc2[nH]nc(-c3nc4c(-c5ccc(F)cc5-c5cc(-c6cncc(NC(=O)CC(C)C)c6)cc6c(-c7nc8c(-c9ccc(F)cc9)cccc8[nH]7)n[nH]c56)cccc4[nH]3)c2c1
InChIInChI=1S/C56H41F2N11O/c1-29(2)20-49(70)61-37-21-34(26-60-27-37)33-23-42(50-44(24-33)54(69-67-50)56-62-47-8-4-6-38(51(47)64-56)31-10-13-35(57)14-11-31)41-25-36(58)15-16-39(41)40-7-5-9-48-52(40)65-55(63-48)53-43-22-32(12-17-46(43)66-68-53)45-28-59-19-18-30(45)3/h4-19,21-29H,20H2,1-3H3,(H,61,70)(H,62,64)(H,63,65)(H,66,68)(H,67,69)
InChIKeyJHMNAOMPDORUFV-UHFFFAOYSA-N
MW922.02 g/mol
LogP13.22
Rot. Bonds10

About N-[5-[7-[5-fluoro-2-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide

N-[5-[7-[5-fluoro-2-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide (PubChem CID 137297525) has the molecular formula C56H41F2N11O and a molecular weight of 922.02 g/mol. Its IUPAC name is N-[5-[7-[5-fluoro-2-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-[7-[5-fluoro-2-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
PubChem CID137297525
Molecular FormulaC56H41F2N11O
Molecular Weight922.02 g/mol
Exact Mass921.35
IUPAC NameN-[5-[7-[5-fluoro-2-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
SMILESCc1ccncc1-c1ccc2[nH]nc(-c3nc4c(-c5ccc(F)cc5-c5cc(-c6cncc(NC(=O)CC(C)C)c6)cc6c(-c7nc8c(-c9ccc(F)cc9)cccc8[nH]7)n[nH]c56)cccc4[nH]3)c2c1
InChIInChI=1S/C56H41F2N11O/c1-29(2)20-49(70)61-37-21-34(26-60-27-37)33-23-42(50-44(24-33)54(69-67-50)56-62-47-8-4-6-38(51(47)64-56)31-10-13-35(57)14-11-31)41-25-36(58)15-16-39(41)40-7-5-9-48-52(40)65-55(63-48)53-43-22-32(12-17-46(43)66-68-53)45-28-59-19-18-30(45)3/h4-19,21-29H,20H2,1-3H3,(H,61,70)(H,62,64)(H,63,65)(H,66,68)(H,67,69)
InChIKeyJHMNAOMPDORUFV-UHFFFAOYSA-N
XLogP13.22
TPSA169.60 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.02
LogP ≤ 513.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze N-[5-[7-[5-fluoro-2-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[7-[5-fluoro-2-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[5-[7-[5-fluoro-2-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide (CID 137297525) is N-[5-[7-[5-fluoro-2-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[5-[7-[5-fluoro-2-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[5-[7-[5-fluoro-2-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide is Cc1ccncc1-c1ccc2[nH]nc(-c3nc4c(-c5ccc(F)cc5-c5cc(-c6cncc(NC(=O)CC(C)C)c6)cc6c(-c7nc8c(-c9ccc(F)cc9)cccc8[nH]7)n[nH]c56)cccc4[nH]3)c2c1.
What is the InChIKey of N-[5-[7-[5-fluoro-2-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?
The InChIKey is JHMNAOMPDORUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41F2N11O/c1-29(2)20-49(70)61-37-21-34(26-60-27-37)33-23-42(50-44(24-33)54(69-67-50)56-62-47-8-4-6-38(51(47)64-56)31-10-13-35(57)14-11-31)41-25-36(58)15-16-39(41)40-7-5-9-48-52(40)65-55(63-48)53-43-22-32(12-17-46(43)66-68-53)45-28-59-19-18-30(45)3/h4-19,21-29H,20H2,1-3H3,(H,61,70)(H,62,64)(H,63,65)(H,66,68)(H,67,69).
What are the key properties of N-[5-[7-[5-fluoro-2-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?
N-[5-[7-[5-fluoro-2-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide has a molecular weight of 922.02 g/mol, XLogP of 13.22, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-[5-fluoro-2-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 137297525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).